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  1. Third-Parties
  2. MatprojStructure
  3. mp-560359

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-560359
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 7
  • Element list: ['Sb', 'Te', 'S', 'Xe', 'Cl', 'O', 'F']
  • Chemical System: Cl-F-O-S-Sb-Te-Xe
  • Density: 3.443511483641424
  • Atomic Density: 0.056878326539090314
  • Unit Cell Volume: 1969.1155984173806
  • Molar Volume: 10.587760094983123
  • Full Formula: Sb2 Te14 S2 Xe2 Cl2 O18 F72
  • Reduced Formula: SbTe7SXeCl(OF4)9
  • Formula Anonymous: ABCDE7F9G36
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -524.20528033
  • Final energy per atom: -4.680404288660715
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.